N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(1H-indol-3-yl)butanamide
Formula:C20H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(1H-indol-3-yl)butanamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(1H-indol-3-yl)butanamide |
| MolecularFormula | C20H19N3O3 |
| Smiles | O=C(CCCc1c[nH]c2c1cccc2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C20H19N3O3/c24-20(7-3-4-15-12-21-17-6-2-1-5-16(15)17)23-22-11-14-8-9-18-19(10-14)26-13-25-18/h1-2,5-6,8-12,21H,3-4,7,13H2,(H,23,24) |
| InChIK | YFQCCDOERMWWLZ-UHFFFAOYSA-N |
| TotalMolweight | 349.389 |
| Molweight | 349.389 |
| MonoisotopicMass | 349.142642 |
| CLogP | 4.2593 |
| CLogS | -5.462 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 272.7 |
| Relative PSA | 0.25669 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 0.38827 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(1H-indol-3-yl)butanamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(1H-indol-3-yl)butanamide
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